USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot -149:sc= 0.119 USER MOD Set 1.2: A 42 MET CE :methyl -134:sc= -2.93 (180deg=-4.59!) USER MOD Set 2.1: A 27 SER OG : rot -120:sc= 0 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=0.42) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -174:sc= 0.701 (180deg=0) USER MOD Set 3.2: A 40 GLN :FLIP amide:sc= 0.631 F(o=-3.8,f=1.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 142:sc= -0.174 USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= -0.0488 (180deg=-0.0516) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 25 CYS SG : rot 24:sc= 0.201 USER MOD Single : A 28 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.7!) USER MOD Single : A 33 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.2) USER MOD Single : A 38 ASN : amide:sc= -6.63! C(o=-6.6!,f=-8.2!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -2.73! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 47 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.24) USER MOD Single : A 50 SER OG : rot -3:sc= 1.03 USER MOD Single : A 53 SER OG : rot 180:sc= -0.828 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 74:sc= -0.369 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.317 13.204 -25.101 1.00 0.00 N ATOM 2 CA GLY A 1 8.048 12.828 -23.725 1.00 0.00 C ATOM 3 C GLY A 1 7.520 11.413 -23.604 1.00 0.00 C ATOM 4 O GLY A 1 6.313 11.185 -23.674 1.00 0.00 O ATOM 0 H1 GLY A 1 8.676 14.180 -25.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.028 12.561 -25.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.440 13.141 -25.656 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.963 12.922 -23.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.323 13.521 -23.297 1.00 0.00 H new ATOM 8 N SER A 2 8.428 10.458 -23.423 1.00 0.00 N ATOM 9 CA SER A 2 8.047 9.056 -23.297 1.00 0.00 C ATOM 10 C SER A 2 7.563 8.749 -21.883 1.00 0.00 C ATOM 11 O SER A 2 7.880 9.469 -20.936 1.00 0.00 O ATOM 12 CB SER A 2 9.229 8.151 -23.651 1.00 0.00 C ATOM 13 OG SER A 2 8.798 6.825 -23.904 1.00 0.00 O ATOM 0 H SER A 2 9.431 10.630 -23.360 1.00 0.00 H new ATOM 0 HA SER A 2 7.230 8.863 -23.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.742 8.544 -24.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.950 8.153 -22.834 1.00 0.00 H new ATOM 0 HG SER A 2 9.571 6.267 -24.130 1.00 0.00 H new ATOM 19 N SER A 3 6.792 7.675 -21.749 1.00 0.00 N ATOM 20 CA SER A 3 6.259 7.274 -20.452 1.00 0.00 C ATOM 21 C SER A 3 7.367 6.733 -19.553 1.00 0.00 C ATOM 22 O SER A 3 8.403 6.275 -20.034 1.00 0.00 O ATOM 23 CB SER A 3 5.169 6.215 -20.629 1.00 0.00 C ATOM 24 OG SER A 3 5.623 5.147 -21.442 1.00 0.00 O ATOM 0 H SER A 3 6.522 7.067 -22.522 1.00 0.00 H new ATOM 0 HA SER A 3 5.826 8.155 -19.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.868 5.832 -19.654 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.286 6.669 -21.079 1.00 0.00 H new ATOM 0 HG SER A 3 4.909 4.483 -21.538 1.00 0.00 H new ATOM 30 N GLY A 4 7.140 6.789 -18.244 1.00 0.00 N ATOM 31 CA GLY A 4 8.127 6.302 -17.299 1.00 0.00 C ATOM 32 C GLY A 4 7.586 5.198 -16.412 1.00 0.00 C ATOM 33 O GLY A 4 7.164 4.150 -16.902 1.00 0.00 O ATOM 0 H GLY A 4 6.290 7.163 -17.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.996 5.933 -17.844 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.469 7.129 -16.677 1.00 0.00 H new ATOM 37 N SER A 5 7.598 5.432 -15.104 1.00 0.00 N ATOM 38 CA SER A 5 7.109 4.447 -14.146 1.00 0.00 C ATOM 39 C SER A 5 5.868 4.961 -13.424 1.00 0.00 C ATOM 40 O SER A 5 5.873 6.055 -12.859 1.00 0.00 O ATOM 41 CB SER A 5 8.201 4.107 -13.130 1.00 0.00 C ATOM 42 OG SER A 5 7.798 3.042 -12.286 1.00 0.00 O ATOM 0 H SER A 5 7.941 6.295 -14.683 1.00 0.00 H new ATOM 0 HA SER A 5 6.840 3.545 -14.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.117 3.834 -13.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.428 4.987 -12.528 1.00 0.00 H new ATOM 0 HG SER A 5 8.514 2.842 -11.647 1.00 0.00 H new ATOM 48 N SER A 6 4.805 4.163 -13.446 1.00 0.00 N ATOM 49 CA SER A 6 3.554 4.538 -12.796 1.00 0.00 C ATOM 50 C SER A 6 3.576 4.161 -11.318 1.00 0.00 C ATOM 51 O SER A 6 4.442 3.412 -10.869 1.00 0.00 O ATOM 52 CB SER A 6 2.371 3.859 -13.490 1.00 0.00 C ATOM 53 OG SER A 6 1.159 4.540 -13.215 1.00 0.00 O ATOM 0 H SER A 6 4.785 3.253 -13.907 1.00 0.00 H new ATOM 0 HA SER A 6 3.441 5.619 -12.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.542 3.835 -14.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.294 2.824 -13.156 1.00 0.00 H new ATOM 0 HG SER A 6 0.419 4.088 -13.671 1.00 0.00 H new ATOM 59 N GLY A 7 2.614 4.687 -10.566 1.00 0.00 N ATOM 60 CA GLY A 7 2.539 4.396 -9.146 1.00 0.00 C ATOM 61 C GLY A 7 2.961 5.573 -8.290 1.00 0.00 C ATOM 62 O GLY A 7 4.009 6.176 -8.523 1.00 0.00 O ATOM 0 H GLY A 7 1.885 5.310 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.518 4.112 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.174 3.540 -8.920 1.00 0.00 H new ATOM 66 N SER A 8 2.142 5.904 -7.296 1.00 0.00 N ATOM 67 CA SER A 8 2.433 7.021 -6.405 1.00 0.00 C ATOM 68 C SER A 8 3.186 6.546 -5.166 1.00 0.00 C ATOM 69 O SER A 8 2.844 5.524 -4.570 1.00 0.00 O ATOM 70 CB SER A 8 1.137 7.722 -5.991 1.00 0.00 C ATOM 71 OG SER A 8 0.630 8.521 -7.046 1.00 0.00 O ATOM 0 H SER A 8 1.272 5.414 -7.088 1.00 0.00 H new ATOM 0 HA SER A 8 3.064 7.728 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.393 6.979 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.320 8.344 -5.115 1.00 0.00 H new ATOM 0 HG SER A 8 -0.199 8.957 -6.757 1.00 0.00 H new ATOM 77 N THR A 9 4.215 7.296 -4.783 1.00 0.00 N ATOM 78 CA THR A 9 5.018 6.953 -3.617 1.00 0.00 C ATOM 79 C THR A 9 4.482 7.631 -2.361 1.00 0.00 C ATOM 80 O THR A 9 4.169 8.821 -2.373 1.00 0.00 O ATOM 81 CB THR A 9 6.492 7.353 -3.812 1.00 0.00 C ATOM 82 OG1 THR A 9 6.893 7.100 -5.164 1.00 0.00 O ATOM 83 CG2 THR A 9 7.393 6.582 -2.859 1.00 0.00 C ATOM 0 H THR A 9 4.511 8.145 -5.264 1.00 0.00 H new ATOM 0 HA THR A 9 4.955 5.871 -3.498 1.00 0.00 H new ATOM 0 HB THR A 9 6.588 8.417 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.831 7.358 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.429 6.882 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.104 6.798 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.292 5.513 -3.047 1.00 0.00 H new ATOM 91 N MET A 10 4.379 6.867 -1.279 1.00 0.00 N ATOM 92 CA MET A 10 3.882 7.396 -0.014 1.00 0.00 C ATOM 93 C MET A 10 4.787 6.980 1.142 1.00 0.00 C ATOM 94 O MET A 10 5.361 5.891 1.134 1.00 0.00 O ATOM 95 CB MET A 10 2.454 6.910 0.241 1.00 0.00 C ATOM 96 CG MET A 10 1.537 7.063 -0.961 1.00 0.00 C ATOM 97 SD MET A 10 -0.192 6.745 -0.561 1.00 0.00 S ATOM 98 CE MET A 10 -0.755 8.396 -0.151 1.00 0.00 C ATOM 0 H MET A 10 4.633 5.879 -1.252 1.00 0.00 H new ATOM 0 HA MET A 10 3.882 8.484 -0.079 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.483 5.861 0.534 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.035 7.464 1.081 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.634 8.073 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.856 6.378 -1.746 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.811 8.364 0.119 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.177 8.779 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.621 9.051 -1.012 1.00 0.00 H new ATOM 108 N THR A 11 4.910 7.855 2.135 1.00 0.00 N ATOM 109 CA THR A 11 5.746 7.580 3.297 1.00 0.00 C ATOM 110 C THR A 11 4.898 7.356 4.544 1.00 0.00 C ATOM 111 O THR A 11 4.008 8.149 4.853 1.00 0.00 O ATOM 112 CB THR A 11 6.735 8.730 3.563 1.00 0.00 C ATOM 113 OG1 THR A 11 7.561 8.942 2.412 1.00 0.00 O ATOM 114 CG2 THR A 11 7.608 8.425 4.771 1.00 0.00 C ATOM 0 H THR A 11 4.441 8.761 2.158 1.00 0.00 H new ATOM 0 HA THR A 11 6.307 6.672 3.074 1.00 0.00 H new ATOM 0 HB THR A 11 6.161 9.633 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.709 9.903 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.298 9.252 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.978 8.293 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.174 7.511 4.590 1.00 0.00 H new ATOM 122 N VAL A 12 5.179 6.270 5.258 1.00 0.00 N ATOM 123 CA VAL A 12 4.442 5.943 6.473 1.00 0.00 C ATOM 124 C VAL A 12 4.597 7.039 7.521 1.00 0.00 C ATOM 125 O VAL A 12 5.693 7.273 8.031 1.00 0.00 O ATOM 126 CB VAL A 12 4.914 4.604 7.071 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.107 4.261 8.314 1.00 0.00 C ATOM 128 CG2 VAL A 12 4.813 3.494 6.037 1.00 0.00 C ATOM 0 H VAL A 12 5.911 5.602 5.016 1.00 0.00 H new ATOM 0 HA VAL A 12 3.392 5.858 6.194 1.00 0.00 H new ATOM 0 HB VAL A 12 5.960 4.704 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.454 3.312 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.235 5.046 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.052 4.179 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.150 2.555 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.777 3.391 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.439 3.738 5.179 1.00 0.00 H new ATOM 138 N ILE A 13 3.493 7.706 7.839 1.00 0.00 N ATOM 139 CA ILE A 13 3.506 8.776 8.829 1.00 0.00 C ATOM 140 C ILE A 13 3.373 8.220 10.242 1.00 0.00 C ATOM 141 O ILE A 13 3.691 8.896 11.221 1.00 0.00 O ATOM 142 CB ILE A 13 2.372 9.788 8.579 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.010 9.116 8.762 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.492 10.383 7.183 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.135 10.097 8.890 1.00 0.00 C ATOM 0 H ILE A 13 2.578 7.525 7.426 1.00 0.00 H new ATOM 0 HA ILE A 13 4.465 9.285 8.730 1.00 0.00 H new ATOM 0 HB ILE A 13 2.458 10.596 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.821 8.458 7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.041 8.487 9.652 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.684 11.096 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.451 10.893 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.427 9.587 6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.070 9.551 9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.031 10.739 9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.192 10.709 7.990 1.00 0.00 H new ATOM 157 N LYS A 14 2.901 6.982 10.343 1.00 0.00 N ATOM 158 CA LYS A 14 2.728 6.331 11.636 1.00 0.00 C ATOM 159 C LYS A 14 2.835 4.815 11.501 1.00 0.00 C ATOM 160 O LYS A 14 2.554 4.255 10.441 1.00 0.00 O ATOM 161 CB LYS A 14 1.373 6.705 12.241 1.00 0.00 C ATOM 162 CG LYS A 14 0.197 6.420 11.322 1.00 0.00 C ATOM 163 CD LYS A 14 -1.023 7.239 11.707 1.00 0.00 C ATOM 164 CE LYS A 14 -1.687 6.694 12.963 1.00 0.00 C ATOM 165 NZ LYS A 14 -2.507 5.485 12.676 1.00 0.00 N ATOM 0 H LYS A 14 2.631 6.409 9.544 1.00 0.00 H new ATOM 0 HA LYS A 14 3.523 6.676 12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.237 6.156 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.377 7.765 12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.476 6.644 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.049 5.359 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.730 8.276 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.739 7.236 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.923 6.448 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.319 7.465 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.970 5.164 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.231 5.717 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.894 4.728 12.311 1.00 0.00 H new ATOM 179 N ASP A 15 3.242 4.157 12.581 1.00 0.00 N ATOM 180 CA ASP A 15 3.384 2.706 12.583 1.00 0.00 C ATOM 181 C ASP A 15 2.053 2.029 12.274 1.00 0.00 C ATOM 182 O ASP A 15 1.007 2.678 12.245 1.00 0.00 O ATOM 183 CB ASP A 15 3.913 2.226 13.936 1.00 0.00 C ATOM 184 CG ASP A 15 3.392 3.060 15.090 1.00 0.00 C ATOM 185 OD1 ASP A 15 2.321 2.718 15.634 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.055 4.056 15.449 1.00 0.00 O ATOM 0 H ASP A 15 3.479 4.605 13.466 1.00 0.00 H new ATOM 0 HA ASP A 15 4.098 2.434 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.627 1.185 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.002 2.260 13.930 1.00 0.00 H new ATOM 191 N TYR A 16 2.099 0.722 12.043 1.00 0.00 N ATOM 192 CA TYR A 16 0.897 -0.043 11.733 1.00 0.00 C ATOM 193 C TYR A 16 1.174 -1.542 11.789 1.00 0.00 C ATOM 194 O TYR A 16 2.100 -2.038 11.146 1.00 0.00 O ATOM 195 CB TYR A 16 0.368 0.338 10.349 1.00 0.00 C ATOM 196 CG TYR A 16 -0.716 -0.585 9.839 1.00 0.00 C ATOM 197 CD1 TYR A 16 -2.039 -0.414 10.226 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.416 -1.627 8.970 1.00 0.00 C ATOM 199 CE1 TYR A 16 -3.033 -1.256 9.764 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.403 -2.472 8.501 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.710 -2.283 8.902 1.00 0.00 C ATOM 202 OH TYR A 16 -3.697 -3.122 8.438 1.00 0.00 O ATOM 0 H TYR A 16 2.956 0.170 12.065 1.00 0.00 H new ATOM 0 HA TYR A 16 0.142 0.196 12.482 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.021 1.356 10.386 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.196 0.338 9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.295 0.391 10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.606 -1.779 8.656 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.057 -1.111 10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.153 -3.276 7.824 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.321 -4.013 8.280 1.00 0.00 H new ATOM 212 N TYR A 17 0.366 -2.258 12.561 1.00 0.00 N ATOM 213 CA TYR A 17 0.524 -3.700 12.704 1.00 0.00 C ATOM 214 C TYR A 17 -0.459 -4.447 11.807 1.00 0.00 C ATOM 215 O TYR A 17 -1.642 -4.565 12.127 1.00 0.00 O ATOM 216 CB TYR A 17 0.319 -4.115 14.162 1.00 0.00 C ATOM 217 CG TYR A 17 -0.622 -3.209 14.923 1.00 0.00 C ATOM 218 CD1 TYR A 17 -0.231 -1.932 15.305 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.903 -3.630 15.258 1.00 0.00 C ATOM 220 CE1 TYR A 17 -1.088 -1.101 16.001 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.767 -2.805 15.953 1.00 0.00 C ATOM 222 CZ TYR A 17 -2.354 -1.542 16.323 1.00 0.00 C ATOM 223 OH TYR A 17 -3.211 -0.717 17.015 1.00 0.00 O ATOM 0 H TYR A 17 -0.406 -1.863 13.098 1.00 0.00 H new ATOM 0 HA TYR A 17 1.537 -3.961 12.399 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.069 -5.133 14.190 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.285 -4.128 14.667 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.760 -1.583 15.054 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.229 -4.619 14.970 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.768 -0.111 16.291 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.760 -3.147 16.205 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.063 -1.179 17.161 1.00 0.00 H new ATOM 233 N ALA A 18 0.041 -4.951 10.684 1.00 0.00 N ATOM 234 CA ALA A 18 -0.791 -5.690 9.742 1.00 0.00 C ATOM 235 C ALA A 18 -1.769 -6.604 10.472 1.00 0.00 C ATOM 236 O ALA A 18 -1.362 -7.484 11.232 1.00 0.00 O ATOM 237 CB ALA A 18 0.079 -6.497 8.790 1.00 0.00 C ATOM 0 H ALA A 18 1.018 -4.861 10.404 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.370 -4.969 9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.555 -7.044 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.733 -5.824 8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.684 -7.202 9.360 1.00 0.00 H new ATOM 243 N LEU A 19 -3.059 -6.391 10.238 1.00 0.00 N ATOM 244 CA LEU A 19 -4.095 -7.196 10.874 1.00 0.00 C ATOM 245 C LEU A 19 -4.340 -8.484 10.095 1.00 0.00 C ATOM 246 O LEU A 19 -4.573 -9.542 10.680 1.00 0.00 O ATOM 247 CB LEU A 19 -5.395 -6.397 10.982 1.00 0.00 C ATOM 248 CG LEU A 19 -5.575 -5.576 12.259 1.00 0.00 C ATOM 249 CD1 LEU A 19 -4.891 -4.225 12.126 1.00 0.00 C ATOM 250 CD2 LEU A 19 -7.053 -5.398 12.575 1.00 0.00 C ATOM 0 H LEU A 19 -3.412 -5.667 9.612 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.752 -7.459 11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.455 -5.722 10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.232 -7.090 10.899 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.110 -6.116 13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.030 -3.655 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.826 -4.372 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.326 -3.678 11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.162 -4.811 13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.542 -4.880 11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.515 -6.375 12.715 1.00 0.00 H new ATOM 262 N LYS A 20 -4.282 -8.388 8.771 1.00 0.00 N ATOM 263 CA LYS A 20 -4.493 -9.546 7.910 1.00 0.00 C ATOM 264 C LYS A 20 -3.177 -10.263 7.630 1.00 0.00 C ATOM 265 O LYS A 20 -2.117 -9.834 8.085 1.00 0.00 O ATOM 266 CB LYS A 20 -5.142 -9.115 6.592 1.00 0.00 C ATOM 267 CG LYS A 20 -6.570 -8.622 6.750 1.00 0.00 C ATOM 268 CD LYS A 20 -7.358 -8.773 5.460 1.00 0.00 C ATOM 269 CE LYS A 20 -8.697 -8.056 5.538 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.707 -8.669 4.631 1.00 0.00 N ATOM 0 H LYS A 20 -4.091 -7.520 8.271 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.159 -10.236 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.541 -8.324 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.132 -9.956 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.063 -9.181 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.563 -7.575 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.778 -8.373 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.522 -9.831 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.065 -8.084 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.563 -7.006 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.573 -8.093 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.325 -8.712 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.929 -9.631 4.958 1.00 0.00 H new ATOM 284 N GLU A 21 -3.252 -11.356 6.877 1.00 0.00 N ATOM 285 CA GLU A 21 -2.065 -12.131 6.537 1.00 0.00 C ATOM 286 C GLU A 21 -1.319 -11.499 5.365 1.00 0.00 C ATOM 287 O GLU A 21 -0.091 -11.421 5.367 1.00 0.00 O ATOM 288 CB GLU A 21 -2.450 -13.571 6.191 1.00 0.00 C ATOM 289 CG GLU A 21 -1.377 -14.589 6.540 1.00 0.00 C ATOM 290 CD GLU A 21 -1.393 -15.793 5.618 1.00 0.00 C ATOM 291 OE1 GLU A 21 -1.610 -15.605 4.402 1.00 0.00 O ATOM 292 OE2 GLU A 21 -1.189 -16.921 6.111 1.00 0.00 O ATOM 0 H GLU A 21 -4.121 -11.724 6.491 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.406 -12.136 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.369 -13.829 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.666 -13.634 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.398 -14.111 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.518 -14.922 7.568 1.00 0.00 H new ATOM 299 N ASN A 22 -2.071 -11.048 4.366 1.00 0.00 N ATOM 300 CA ASN A 22 -1.482 -10.423 3.188 1.00 0.00 C ATOM 301 C ASN A 22 -0.787 -9.116 3.556 1.00 0.00 C ATOM 302 O ASN A 22 0.268 -8.789 3.013 1.00 0.00 O ATOM 303 CB ASN A 22 -2.558 -10.162 2.132 1.00 0.00 C ATOM 304 CG ASN A 22 -2.006 -10.207 0.720 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.518 -10.928 -0.136 1.00 0.00 O ATOM 306 ND2 ASN A 22 -0.955 -9.434 0.471 1.00 0.00 N ATOM 0 H ASN A 22 -3.089 -11.104 4.349 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.738 -11.106 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.350 -10.904 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.010 -9.187 2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.540 -9.422 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.563 -8.852 1.211 1.00 0.00 H new ATOM 313 N GLU A 23 -1.385 -8.373 4.482 1.00 0.00 N ATOM 314 CA GLU A 23 -0.823 -7.102 4.922 1.00 0.00 C ATOM 315 C GLU A 23 0.560 -7.302 5.534 1.00 0.00 C ATOM 316 O GLU A 23 0.917 -8.408 5.941 1.00 0.00 O ATOM 317 CB GLU A 23 -1.751 -6.433 5.938 1.00 0.00 C ATOM 318 CG GLU A 23 -3.073 -5.974 5.345 1.00 0.00 C ATOM 319 CD GLU A 23 -4.199 -5.975 6.361 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.906 -5.911 7.573 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.374 -6.039 5.943 1.00 0.00 O ATOM 0 H GLU A 23 -2.259 -8.630 4.942 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.725 -6.456 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.950 -7.132 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.240 -5.574 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.956 -4.969 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.339 -6.625 4.512 1.00 0.00 H new ATOM 328 N ILE A 24 1.335 -6.224 5.596 1.00 0.00 N ATOM 329 CA ILE A 24 2.678 -6.280 6.159 1.00 0.00 C ATOM 330 C ILE A 24 2.880 -5.193 7.209 1.00 0.00 C ATOM 331 O ILE A 24 2.167 -4.189 7.222 1.00 0.00 O ATOM 332 CB ILE A 24 3.753 -6.129 5.066 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.712 -4.720 4.471 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.554 -7.175 3.980 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.842 -4.440 3.505 1.00 0.00 C ATOM 0 H ILE A 24 1.055 -5.301 5.263 1.00 0.00 H new ATOM 0 HA ILE A 24 2.783 -7.258 6.628 1.00 0.00 H new ATOM 0 HB ILE A 24 4.733 -6.284 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.761 -4.579 3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.748 -3.991 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.321 -7.056 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.629 -8.171 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.569 -7.049 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.750 -3.424 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.796 -4.549 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.795 -5.146 2.676 1.00 0.00 H new ATOM 347 N CYS A 25 3.857 -5.398 8.085 1.00 0.00 N ATOM 348 CA CYS A 25 4.155 -4.435 9.138 1.00 0.00 C ATOM 349 C CYS A 25 5.016 -3.295 8.605 1.00 0.00 C ATOM 350 O CYS A 25 5.957 -3.517 7.842 1.00 0.00 O ATOM 351 CB CYS A 25 4.865 -5.125 10.304 1.00 0.00 C ATOM 352 SG CYS A 25 6.513 -5.749 9.898 1.00 0.00 S ATOM 0 H CYS A 25 4.457 -6.223 8.087 1.00 0.00 H new ATOM 0 HA CYS A 25 3.212 -4.019 9.492 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.948 -4.422 11.132 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.249 -5.955 10.651 1.00 0.00 H new ATOM 0 HG CYS A 25 6.993 -5.083 8.890 1.00 0.00 H new ATOM 358 N VAL A 26 4.688 -2.072 9.011 1.00 0.00 N ATOM 359 CA VAL A 26 5.431 -0.896 8.573 1.00 0.00 C ATOM 360 C VAL A 26 5.844 -0.034 9.761 1.00 0.00 C ATOM 361 O VAL A 26 5.288 -0.156 10.853 1.00 0.00 O ATOM 362 CB VAL A 26 4.604 -0.042 7.595 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.462 -0.749 6.256 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.240 0.275 8.187 1.00 0.00 C ATOM 0 H VAL A 26 3.913 -1.870 9.642 1.00 0.00 H new ATOM 0 HA VAL A 26 6.324 -1.257 8.062 1.00 0.00 H new ATOM 0 HB VAL A 26 5.129 0.898 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.874 -0.130 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.450 -0.919 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.960 -1.705 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.669 0.879 7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.705 -0.654 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.367 0.827 9.118 1.00 0.00 H new ATOM 374 N SER A 27 6.822 0.839 9.540 1.00 0.00 N ATOM 375 CA SER A 27 7.311 1.721 10.593 1.00 0.00 C ATOM 376 C SER A 27 7.336 3.171 10.120 1.00 0.00 C ATOM 377 O SER A 27 7.782 3.465 9.011 1.00 0.00 O ATOM 378 CB SER A 27 8.712 1.293 11.036 1.00 0.00 C ATOM 379 OG SER A 27 8.675 0.048 11.712 1.00 0.00 O ATOM 0 H SER A 27 7.291 0.954 8.642 1.00 0.00 H new ATOM 0 HA SER A 27 6.630 1.646 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.365 1.219 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.138 2.053 11.691 1.00 0.00 H new ATOM 0 HG SER A 27 9.022 0.159 12.622 1.00 0.00 H new ATOM 385 N GLN A 28 6.853 4.072 10.969 1.00 0.00 N ATOM 386 CA GLN A 28 6.819 5.492 10.638 1.00 0.00 C ATOM 387 C GLN A 28 8.146 5.943 10.038 1.00 0.00 C ATOM 388 O GLN A 28 9.167 5.984 10.723 1.00 0.00 O ATOM 389 CB GLN A 28 6.501 6.320 11.884 1.00 0.00 C ATOM 390 CG GLN A 28 6.469 7.818 11.627 1.00 0.00 C ATOM 391 CD GLN A 28 6.066 8.613 12.853 1.00 0.00 C ATOM 392 OE1 GLN A 28 5.132 8.244 13.566 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.770 9.710 13.106 1.00 0.00 N ATOM 0 H GLN A 28 6.480 3.844 11.891 1.00 0.00 H new ATOM 0 HA GLN A 28 6.035 5.648 9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.535 6.007 12.281 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.245 6.107 12.651 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.453 8.146 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.771 8.029 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.536 9.978 12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.545 10.284 13.918 1.00 0.00 H new ATOM 402 N GLY A 29 8.125 6.281 8.752 1.00 0.00 N ATOM 403 CA GLY A 29 9.333 6.724 8.081 1.00 0.00 C ATOM 404 C GLY A 29 9.619 5.932 6.820 1.00 0.00 C ATOM 405 O GLY A 29 10.272 6.429 5.904 1.00 0.00 O ATOM 0 H GLY A 29 7.293 6.256 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.239 7.780 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.178 6.633 8.763 1.00 0.00 H new ATOM 409 N GLU A 30 9.131 4.696 6.776 1.00 0.00 N ATOM 410 CA GLU A 30 9.342 3.834 5.619 1.00 0.00 C ATOM 411 C GLU A 30 8.666 4.413 4.379 1.00 0.00 C ATOM 412 O GLU A 30 7.689 5.155 4.480 1.00 0.00 O ATOM 413 CB GLU A 30 8.804 2.429 5.897 1.00 0.00 C ATOM 414 CG GLU A 30 9.806 1.520 6.588 1.00 0.00 C ATOM 415 CD GLU A 30 10.749 0.843 5.613 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.814 1.424 5.319 1.00 0.00 O ATOM 417 OE2 GLU A 30 10.422 -0.267 5.144 1.00 0.00 O ATOM 0 H GLU A 30 8.588 4.270 7.527 1.00 0.00 H new ATOM 0 HA GLU A 30 10.414 3.774 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.910 2.507 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.501 1.972 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.386 2.103 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.270 0.760 7.156 1.00 0.00 H new ATOM 424 N VAL A 31 9.194 4.068 3.209 1.00 0.00 N ATOM 425 CA VAL A 31 8.643 4.552 1.949 1.00 0.00 C ATOM 426 C VAL A 31 8.252 3.393 1.039 1.00 0.00 C ATOM 427 O VAL A 31 9.083 2.553 0.692 1.00 0.00 O ATOM 428 CB VAL A 31 9.647 5.455 1.207 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.071 5.913 -0.124 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.028 6.648 2.071 1.00 0.00 C ATOM 0 H VAL A 31 10.003 3.455 3.108 1.00 0.00 H new ATOM 0 HA VAL A 31 7.755 5.134 2.195 1.00 0.00 H new ATOM 0 HB VAL A 31 10.549 4.878 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.794 6.550 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.852 5.044 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.153 6.474 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.738 7.276 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.135 7.228 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.484 6.296 2.996 1.00 0.00 H new ATOM 440 N VAL A 32 6.980 3.353 0.655 1.00 0.00 N ATOM 441 CA VAL A 32 6.477 2.298 -0.217 1.00 0.00 C ATOM 442 C VAL A 32 5.871 2.878 -1.489 1.00 0.00 C ATOM 443 O VAL A 32 5.796 4.095 -1.653 1.00 0.00 O ATOM 444 CB VAL A 32 5.418 1.437 0.497 1.00 0.00 C ATOM 445 CG1 VAL A 32 5.981 0.856 1.785 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.166 2.256 0.775 1.00 0.00 C ATOM 0 H VAL A 32 6.279 4.039 0.934 1.00 0.00 H new ATOM 0 HA VAL A 32 7.329 1.670 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 32 5.146 0.609 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.218 0.251 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.846 0.234 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.283 1.667 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.428 1.633 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.420 3.104 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.752 2.619 -0.166 1.00 0.00 H new ATOM 456 N GLN A 33 5.439 1.998 -2.387 1.00 0.00 N ATOM 457 CA GLN A 33 4.839 2.424 -3.646 1.00 0.00 C ATOM 458 C GLN A 33 3.448 1.822 -3.817 1.00 0.00 C ATOM 459 O GLN A 33 3.291 0.603 -3.872 1.00 0.00 O ATOM 460 CB GLN A 33 5.730 2.021 -4.822 1.00 0.00 C ATOM 461 CG GLN A 33 6.897 2.968 -5.054 1.00 0.00 C ATOM 462 CD GLN A 33 8.133 2.574 -4.271 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.329 3.009 -3.136 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.977 1.744 -4.874 1.00 0.00 N ATOM 0 H GLN A 33 5.493 0.987 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 33 4.745 3.510 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.117 1.017 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.124 1.976 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.137 2.989 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.601 3.979 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.776 1.407 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.826 1.443 -4.395 1.00 0.00 H new ATOM 473 N VAL A 34 2.441 2.686 -3.901 1.00 0.00 N ATOM 474 CA VAL A 34 1.063 2.240 -4.067 1.00 0.00 C ATOM 475 C VAL A 34 0.880 1.500 -5.387 1.00 0.00 C ATOM 476 O VAL A 34 1.466 1.870 -6.406 1.00 0.00 O ATOM 477 CB VAL A 34 0.080 3.424 -4.014 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.353 2.935 -4.162 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.255 4.204 -2.720 1.00 0.00 C ATOM 0 H VAL A 34 2.554 3.699 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 34 0.848 1.562 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 34 0.298 4.093 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.034 3.785 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.466 2.424 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.587 2.245 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.448 5.037 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.064 3.548 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.274 4.587 -2.661 1.00 0.00 H new ATOM 489 N LEU A 35 0.063 0.453 -5.364 1.00 0.00 N ATOM 490 CA LEU A 35 -0.199 -0.340 -6.560 1.00 0.00 C ATOM 491 C LEU A 35 -1.688 -0.351 -6.891 1.00 0.00 C ATOM 492 O LEU A 35 -2.074 -0.320 -8.059 1.00 0.00 O ATOM 493 CB LEU A 35 0.302 -1.773 -6.366 1.00 0.00 C ATOM 494 CG LEU A 35 1.789 -1.926 -6.045 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.188 -3.393 -6.050 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.633 -1.138 -7.036 1.00 0.00 C ATOM 0 H LEU A 35 -0.430 0.133 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 35 0.336 0.116 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.272 -2.232 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.086 -2.338 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 35 1.968 -1.526 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.250 -3.482 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.608 -3.930 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.993 -3.820 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.688 -1.259 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.449 -1.508 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.367 -0.082 -6.982 1.00 0.00 H new ATOM 508 N ALA A 36 -2.519 -0.393 -5.855 1.00 0.00 N ATOM 509 CA ALA A 36 -3.965 -0.403 -6.036 1.00 0.00 C ATOM 510 C ALA A 36 -4.687 -0.291 -4.697 1.00 0.00 C ATOM 511 O ALA A 36 -4.054 -0.206 -3.645 1.00 0.00 O ATOM 512 CB ALA A 36 -4.397 -1.665 -6.767 1.00 0.00 C ATOM 0 H ALA A 36 -2.215 -0.421 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.237 0.464 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.479 -1.659 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.916 -1.702 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.105 -2.540 -6.186 1.00 0.00 H new ATOM 518 N VAL A 37 -6.015 -0.292 -4.744 1.00 0.00 N ATOM 519 CA VAL A 37 -6.823 -0.191 -3.535 1.00 0.00 C ATOM 520 C VAL A 37 -7.758 -1.387 -3.397 1.00 0.00 C ATOM 521 O VAL A 37 -8.262 -1.911 -4.390 1.00 0.00 O ATOM 522 CB VAL A 37 -7.658 1.103 -3.523 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.649 1.089 -2.369 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.750 2.321 -3.443 1.00 0.00 C ATOM 0 H VAL A 37 -6.554 -0.362 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.131 -0.175 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.223 1.160 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.230 2.011 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.320 0.237 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.108 1.009 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.356 3.227 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.157 2.274 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.085 2.337 -4.307 1.00 0.00 H new ATOM 534 N ASN A 38 -7.986 -1.814 -2.159 1.00 0.00 N ATOM 535 CA ASN A 38 -8.861 -2.950 -1.891 1.00 0.00 C ATOM 536 C ASN A 38 -10.190 -2.485 -1.304 1.00 0.00 C ATOM 537 O ASN A 38 -10.290 -1.384 -0.765 1.00 0.00 O ATOM 538 CB ASN A 38 -8.181 -3.929 -0.932 1.00 0.00 C ATOM 539 CG ASN A 38 -9.141 -4.972 -0.395 1.00 0.00 C ATOM 540 OD1 ASN A 38 -10.015 -5.457 -1.114 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.982 -5.324 0.876 1.00 0.00 N ATOM 0 H ASN A 38 -7.577 -1.391 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.059 -3.456 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.359 -4.426 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.747 -3.376 -0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.598 -6.022 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.244 -4.896 1.435 1.00 0.00 H new ATOM 548 N GLN A 39 -11.207 -3.334 -1.413 1.00 0.00 N ATOM 549 CA GLN A 39 -12.530 -3.010 -0.892 1.00 0.00 C ATOM 550 C GLN A 39 -12.479 -2.765 0.612 1.00 0.00 C ATOM 551 O GLN A 39 -13.377 -2.145 1.180 1.00 0.00 O ATOM 552 CB GLN A 39 -13.515 -4.138 -1.204 1.00 0.00 C ATOM 553 CG GLN A 39 -14.046 -4.107 -2.628 1.00 0.00 C ATOM 554 CD GLN A 39 -14.850 -5.343 -2.978 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.359 -6.037 -2.097 1.00 0.00 O ATOM 556 NE2 GLN A 39 -14.970 -5.625 -4.270 1.00 0.00 N ATOM 0 H GLN A 39 -11.140 -4.250 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.870 -2.096 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.025 -5.096 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.354 -4.078 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.670 -3.223 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.210 -4.014 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.532 -5.022 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.501 -6.444 -4.566 1.00 0.00 H new ATOM 565 N GLN A 40 -11.422 -3.256 1.251 1.00 0.00 N ATOM 566 CA GLN A 40 -11.254 -3.091 2.690 1.00 0.00 C ATOM 567 C GLN A 40 -10.603 -1.750 3.012 1.00 0.00 C ATOM 568 O GLN A 40 -10.018 -1.574 4.079 1.00 0.00 O ATOM 569 CB GLN A 40 -10.410 -4.232 3.260 1.00 0.00 C ATOM 570 CG GLN A 40 -11.024 -5.606 3.052 1.00 0.00 C ATOM 571 CD GLN A 40 -12.042 -5.959 4.119 1.00 0.00 C ATOM 572 OE1 GLN A 40 -11.572 -6.535 5.219 1.00 0.00 O flip ATOM 573 NE2 GLN A 40 -13.238 -5.716 3.956 1.00 0.00 N flip ATOM 0 H GLN A 40 -10.669 -3.771 0.795 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.241 -3.114 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.424 -4.210 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.264 -4.066 4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.502 -5.641 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.233 -6.356 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.555 -5.272 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.911 -5.959 4.683 1.00 0.00 H new ATOM 582 N ASN A 41 -10.709 -0.808 2.080 1.00 0.00 N ATOM 583 CA ASN A 41 -10.129 0.518 2.265 1.00 0.00 C ATOM 584 C ASN A 41 -8.620 0.428 2.468 1.00 0.00 C ATOM 585 O ASN A 41 -8.037 1.207 3.221 1.00 0.00 O ATOM 586 CB ASN A 41 -10.775 1.218 3.463 1.00 0.00 C ATOM 587 CG ASN A 41 -12.124 1.820 3.122 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.167 1.306 3.526 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.110 2.917 2.373 1.00 0.00 N ATOM 0 H ASN A 41 -11.190 -0.938 1.190 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.323 1.101 1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.895 0.503 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.110 2.003 3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.987 3.367 2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.222 3.309 2.060 1.00 0.00 H new ATOM 596 N MET A 42 -7.993 -0.527 1.789 1.00 0.00 N ATOM 597 CA MET A 42 -6.551 -0.718 1.893 1.00 0.00 C ATOM 598 C MET A 42 -5.855 -0.324 0.594 1.00 0.00 C ATOM 599 O MET A 42 -6.493 -0.213 -0.453 1.00 0.00 O ATOM 600 CB MET A 42 -6.231 -2.174 2.235 1.00 0.00 C ATOM 601 CG MET A 42 -6.745 -2.605 3.599 1.00 0.00 C ATOM 602 SD MET A 42 -5.819 -1.863 4.957 1.00 0.00 S ATOM 603 CE MET A 42 -4.388 -2.939 5.019 1.00 0.00 C ATOM 0 H MET A 42 -8.461 -1.181 1.161 1.00 0.00 H new ATOM 0 HA MET A 42 -6.182 -0.075 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.663 -2.821 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.151 -2.318 2.201 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.796 -2.332 3.690 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.690 -3.691 3.677 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.185 -3.215 6.054 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.583 -3.838 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.524 -2.419 4.606 1.00 0.00 H new ATOM 613 N CYS A 43 -4.546 -0.113 0.670 1.00 0.00 N ATOM 614 CA CYS A 43 -3.764 0.271 -0.500 1.00 0.00 C ATOM 615 C CYS A 43 -2.565 -0.654 -0.679 1.00 0.00 C ATOM 616 O CYS A 43 -1.609 -0.607 0.098 1.00 0.00 O ATOM 617 CB CYS A 43 -3.292 1.720 -0.372 1.00 0.00 C ATOM 618 SG CYS A 43 -4.523 2.944 -0.878 1.00 0.00 S ATOM 0 H CYS A 43 -4.004 -0.201 1.529 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.403 0.182 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.011 1.909 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.394 1.853 -0.975 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.032 4.139 -0.732 1.00 0.00 H new ATOM 624 N LEU A 44 -2.621 -1.495 -1.705 1.00 0.00 N ATOM 625 CA LEU A 44 -1.539 -2.433 -1.986 1.00 0.00 C ATOM 626 C LEU A 44 -0.234 -1.693 -2.261 1.00 0.00 C ATOM 627 O LEU A 44 -0.048 -1.118 -3.334 1.00 0.00 O ATOM 628 CB LEU A 44 -1.900 -3.315 -3.182 1.00 0.00 C ATOM 629 CG LEU A 44 -0.931 -4.457 -3.491 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.666 -5.285 -2.243 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.478 -5.333 -4.608 1.00 0.00 C ATOM 0 H LEU A 44 -3.404 -1.547 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.400 -3.062 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.888 -3.741 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.976 -2.681 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 44 0.013 -4.026 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.026 -6.093 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.230 -4.651 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.604 -5.706 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.775 -6.140 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.436 -5.755 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.615 -4.733 -5.507 1.00 0.00 H new ATOM 643 N VAL A 45 0.668 -1.712 -1.285 1.00 0.00 N ATOM 644 CA VAL A 45 1.958 -1.045 -1.422 1.00 0.00 C ATOM 645 C VAL A 45 3.098 -2.056 -1.454 1.00 0.00 C ATOM 646 O VAL A 45 3.066 -3.067 -0.752 1.00 0.00 O ATOM 647 CB VAL A 45 2.201 -0.050 -0.272 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.170 1.067 -0.306 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.176 -0.769 1.069 1.00 0.00 C ATOM 0 H VAL A 45 0.529 -2.182 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 45 1.933 -0.499 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 45 3.188 0.394 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.358 1.760 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.241 1.599 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.171 0.643 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.349 -0.051 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.204 -1.242 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.956 -1.530 1.089 1.00 0.00 H new ATOM 659 N TYR A 46 4.106 -1.777 -2.273 1.00 0.00 N ATOM 660 CA TYR A 46 5.257 -2.663 -2.399 1.00 0.00 C ATOM 661 C TYR A 46 6.402 -2.199 -1.504 1.00 0.00 C ATOM 662 O TYR A 46 6.943 -1.109 -1.687 1.00 0.00 O ATOM 663 CB TYR A 46 5.724 -2.724 -3.854 1.00 0.00 C ATOM 664 CG TYR A 46 6.911 -3.635 -4.072 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.187 -3.253 -3.676 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.757 -4.878 -4.672 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.274 -4.082 -3.873 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.838 -5.714 -4.872 1.00 0.00 C ATOM 669 CZ TYR A 46 9.095 -5.311 -4.472 1.00 0.00 C ATOM 670 OH TYR A 46 10.175 -6.140 -4.669 1.00 0.00 O ATOM 0 H TYR A 46 4.149 -0.944 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 46 4.952 -3.660 -2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.897 -3.063 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.983 -1.719 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.331 -2.291 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.775 -5.197 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.259 -3.769 -3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.700 -6.678 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 46 9.878 -6.968 -5.102 1.00 0.00 H new ATOM 680 N GLN A 47 6.765 -3.036 -0.537 1.00 0.00 N ATOM 681 CA GLN A 47 7.846 -2.711 0.387 1.00 0.00 C ATOM 682 C GLN A 47 9.166 -3.307 -0.090 1.00 0.00 C ATOM 683 O GLN A 47 9.384 -4.518 -0.038 1.00 0.00 O ATOM 684 CB GLN A 47 7.518 -3.226 1.789 1.00 0.00 C ATOM 685 CG GLN A 47 8.729 -3.318 2.703 1.00 0.00 C ATOM 686 CD GLN A 47 8.353 -3.344 4.171 1.00 0.00 C ATOM 687 OE1 GLN A 47 8.722 -4.263 4.902 1.00 0.00 O ATOM 688 NE2 GLN A 47 7.615 -2.331 4.611 1.00 0.00 N ATOM 0 H GLN A 47 6.327 -3.943 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 47 7.949 -1.626 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.779 -2.568 2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.060 -4.212 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.294 -4.218 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.386 -2.469 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.331 -1.590 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.332 -2.294 5.590 1.00 0.00 H new ATOM 697 N PRO A 48 10.071 -2.438 -0.566 1.00 0.00 N ATOM 698 CA PRO A 48 11.386 -2.856 -1.061 1.00 0.00 C ATOM 699 C PRO A 48 12.299 -3.344 0.059 1.00 0.00 C ATOM 700 O PRO A 48 12.149 -2.943 1.213 1.00 0.00 O ATOM 701 CB PRO A 48 11.949 -1.581 -1.693 1.00 0.00 C ATOM 702 CG PRO A 48 11.255 -0.469 -0.984 1.00 0.00 C ATOM 703 CD PRO A 48 9.879 -0.981 -0.657 1.00 0.00 C ATOM 0 HA PRO A 48 11.313 -3.695 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.030 -1.519 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.753 -1.551 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.792 -0.188 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.201 0.421 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.507 -0.565 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.158 -0.718 -1.431 1.00 0.00 H new ATOM 711 N ALA A 49 13.245 -4.210 -0.289 1.00 0.00 N ATOM 712 CA ALA A 49 14.183 -4.750 0.686 1.00 0.00 C ATOM 713 C ALA A 49 14.524 -3.713 1.752 1.00 0.00 C ATOM 714 O ALA A 49 14.746 -2.542 1.444 1.00 0.00 O ATOM 715 CB ALA A 49 15.449 -5.230 -0.008 1.00 0.00 C ATOM 0 H ALA A 49 13.382 -4.553 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 49 13.708 -5.598 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.141 -5.631 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.197 -6.009 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.918 -4.395 -0.528 1.00 0.00 H new ATOM 721 N SER A 50 14.563 -4.152 3.006 1.00 0.00 N ATOM 722 CA SER A 50 14.872 -3.261 4.118 1.00 0.00 C ATOM 723 C SER A 50 15.313 -4.055 5.344 1.00 0.00 C ATOM 724 O SER A 50 14.906 -5.201 5.534 1.00 0.00 O ATOM 725 CB SER A 50 13.654 -2.401 4.464 1.00 0.00 C ATOM 726 OG SER A 50 13.412 -1.432 3.458 1.00 0.00 O ATOM 0 H SER A 50 14.385 -5.119 3.277 1.00 0.00 H new ATOM 0 HA SER A 50 15.692 -2.611 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.776 -3.037 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.815 -1.904 5.421 1.00 0.00 H new ATOM 0 HG SER A 50 14.112 -1.488 2.775 1.00 0.00 H new ATOM 732 N ASP A 51 16.146 -3.436 6.173 1.00 0.00 N ATOM 733 CA ASP A 51 16.642 -4.083 7.382 1.00 0.00 C ATOM 734 C ASP A 51 15.513 -4.798 8.119 1.00 0.00 C ATOM 735 O ASP A 51 15.673 -5.932 8.571 1.00 0.00 O ATOM 736 CB ASP A 51 17.299 -3.055 8.304 1.00 0.00 C ATOM 737 CG ASP A 51 18.157 -3.700 9.374 1.00 0.00 C ATOM 738 OD1 ASP A 51 19.066 -4.478 9.015 1.00 0.00 O ATOM 739 OD2 ASP A 51 17.921 -3.428 10.570 1.00 0.00 O ATOM 0 H ASP A 51 16.492 -2.487 6.030 1.00 0.00 H new ATOM 0 HA ASP A 51 17.386 -4.824 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.913 -2.378 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.526 -2.450 8.778 1.00 0.00 H new ATOM 744 N HIS A 52 14.372 -4.126 8.236 1.00 0.00 N ATOM 745 CA HIS A 52 13.216 -4.697 8.919 1.00 0.00 C ATOM 746 C HIS A 52 12.724 -5.949 8.199 1.00 0.00 C ATOM 747 O HIS A 52 12.492 -6.984 8.823 1.00 0.00 O ATOM 748 CB HIS A 52 12.089 -3.668 9.004 1.00 0.00 C ATOM 749 CG HIS A 52 12.219 -2.732 10.167 1.00 0.00 C ATOM 750 ND1 HIS A 52 11.142 -2.090 10.740 1.00 0.00 N ATOM 751 CD2 HIS A 52 13.308 -2.333 10.865 1.00 0.00 C ATOM 752 CE1 HIS A 52 11.563 -1.335 11.739 1.00 0.00 C ATOM 753 NE2 HIS A 52 12.873 -1.465 11.836 1.00 0.00 N ATOM 0 H HIS A 52 14.223 -3.187 7.867 1.00 0.00 H new ATOM 0 HA HIS A 52 13.521 -4.975 9.928 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.068 -3.088 8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.135 -4.191 9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 52 14.329 -2.640 10.691 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.941 -0.717 12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.466 -0.997 12.521 1.00 0.00 H new ATOM 762 N SER A 53 12.567 -5.847 6.883 1.00 0.00 N ATOM 763 CA SER A 53 12.098 -6.969 6.080 1.00 0.00 C ATOM 764 C SER A 53 12.567 -6.836 4.634 1.00 0.00 C ATOM 765 O SER A 53 12.732 -5.736 4.107 1.00 0.00 O ATOM 766 CB SER A 53 10.571 -7.055 6.126 1.00 0.00 C ATOM 767 OG SER A 53 10.069 -7.810 5.037 1.00 0.00 O ATOM 0 H SER A 53 12.758 -4.998 6.351 1.00 0.00 H new ATOM 0 HA SER A 53 12.519 -7.883 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.258 -7.512 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.146 -6.051 6.103 1.00 0.00 H new ATOM 0 HG SER A 53 9.091 -7.851 5.091 1.00 0.00 H new ATOM 773 N PRO A 54 12.788 -7.984 3.977 1.00 0.00 N ATOM 774 CA PRO A 54 13.241 -8.024 2.583 1.00 0.00 C ATOM 775 C PRO A 54 12.163 -7.560 1.610 1.00 0.00 C ATOM 776 O PRO A 54 11.053 -7.219 2.016 1.00 0.00 O ATOM 777 CB PRO A 54 13.565 -9.503 2.357 1.00 0.00 C ATOM 778 CG PRO A 54 12.717 -10.231 3.342 1.00 0.00 C ATOM 779 CD PRO A 54 12.613 -9.332 4.543 1.00 0.00 C ATOM 0 HA PRO A 54 14.086 -7.358 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.335 -9.807 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.624 -9.706 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.732 -10.443 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.164 -11.189 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.649 -9.437 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.380 -9.560 5.283 1.00 0.00 H new ATOM 787 N ALA A 55 12.498 -7.550 0.324 1.00 0.00 N ATOM 788 CA ALA A 55 11.557 -7.130 -0.707 1.00 0.00 C ATOM 789 C ALA A 55 10.268 -7.942 -0.638 1.00 0.00 C ATOM 790 O ALA A 55 10.276 -9.156 -0.837 1.00 0.00 O ATOM 791 CB ALA A 55 12.191 -7.261 -2.085 1.00 0.00 C ATOM 0 H ALA A 55 13.414 -7.828 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 55 11.307 -6.084 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.477 -6.944 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.080 -6.633 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.470 -8.300 -2.260 1.00 0.00 H new ATOM 797 N ALA A 56 9.162 -7.263 -0.353 1.00 0.00 N ATOM 798 CA ALA A 56 7.865 -7.921 -0.258 1.00 0.00 C ATOM 799 C ALA A 56 6.727 -6.916 -0.402 1.00 0.00 C ATOM 800 O ALA A 56 6.813 -5.793 0.093 1.00 0.00 O ATOM 801 CB ALA A 56 7.747 -8.668 1.063 1.00 0.00 C ATOM 0 H ALA A 56 9.138 -6.257 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 56 7.789 -8.637 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.773 -9.155 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.533 -9.421 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.850 -7.965 1.889 1.00 0.00 H new ATOM 807 N GLU A 57 5.663 -7.327 -1.085 1.00 0.00 N ATOM 808 CA GLU A 57 4.509 -6.460 -1.296 1.00 0.00 C ATOM 809 C GLU A 57 3.426 -6.734 -0.256 1.00 0.00 C ATOM 810 O GLU A 57 3.040 -7.881 -0.033 1.00 0.00 O ATOM 811 CB GLU A 57 3.943 -6.660 -2.703 1.00 0.00 C ATOM 812 CG GLU A 57 2.510 -6.181 -2.856 1.00 0.00 C ATOM 813 CD GLU A 57 1.496 -7.267 -2.554 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.115 -7.999 -3.492 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.083 -7.384 -1.382 1.00 0.00 O ATOM 0 H GLU A 57 5.576 -8.254 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 57 4.839 -5.427 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.573 -6.130 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.993 -7.718 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.340 -5.335 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.358 -5.820 -3.873 1.00 0.00 H new ATOM 822 N GLY A 58 2.940 -5.671 0.378 1.00 0.00 N ATOM 823 CA GLY A 58 1.907 -5.818 1.387 1.00 0.00 C ATOM 824 C GLY A 58 0.897 -4.688 1.350 1.00 0.00 C ATOM 825 O GLY A 58 1.183 -3.608 0.834 1.00 0.00 O ATOM 0 H GLY A 58 3.243 -4.711 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.392 -6.767 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.369 -5.856 2.373 1.00 0.00 H new ATOM 829 N TRP A 59 -0.288 -4.939 1.896 1.00 0.00 N ATOM 830 CA TRP A 59 -1.345 -3.934 1.921 1.00 0.00 C ATOM 831 C TRP A 59 -1.262 -3.089 3.187 1.00 0.00 C ATOM 832 O TRP A 59 -0.984 -3.602 4.271 1.00 0.00 O ATOM 833 CB TRP A 59 -2.716 -4.605 1.829 1.00 0.00 C ATOM 834 CG TRP A 59 -2.956 -5.290 0.518 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.439 -6.487 0.112 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.772 -4.817 -0.559 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.884 -6.787 -1.153 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.704 -5.779 -1.586 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.555 -3.677 -0.755 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.389 -5.631 -2.790 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.234 -3.532 -1.950 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.148 -4.505 -2.955 1.00 0.00 C ATOM 0 H TRP A 59 -0.541 -5.828 2.327 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.211 -3.279 1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.810 -5.334 2.634 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.491 -3.855 1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.777 -7.107 0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.643 -7.624 -1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.629 -2.922 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.323 -6.379 -3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.841 -2.654 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.691 -4.363 -3.877 1.00 0.00 H new ATOM 853 N VAL A 60 -1.507 -1.790 3.044 1.00 0.00 N ATOM 854 CA VAL A 60 -1.461 -0.874 4.177 1.00 0.00 C ATOM 855 C VAL A 60 -2.556 0.181 4.075 1.00 0.00 C ATOM 856 O VAL A 60 -2.982 0.566 2.986 1.00 0.00 O ATOM 857 CB VAL A 60 -0.094 -0.171 4.276 1.00 0.00 C ATOM 858 CG1 VAL A 60 1.035 -1.190 4.228 1.00 0.00 C ATOM 859 CG2 VAL A 60 0.057 0.858 3.166 1.00 0.00 C ATOM 0 H VAL A 60 -1.739 -1.349 2.154 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.619 -1.472 5.074 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.040 0.350 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.993 -0.675 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.934 -1.885 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.988 -1.741 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.028 1.345 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.017 0.362 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.732 1.605 3.252 1.00 0.00 H new ATOM 869 N PRO A 61 -3.025 0.663 5.236 1.00 0.00 N ATOM 870 CA PRO A 61 -4.076 1.682 5.304 1.00 0.00 C ATOM 871 C PRO A 61 -3.595 3.045 4.821 1.00 0.00 C ATOM 872 O PRO A 61 -2.678 3.630 5.396 1.00 0.00 O ATOM 873 CB PRO A 61 -4.423 1.734 6.794 1.00 0.00 C ATOM 874 CG PRO A 61 -3.191 1.264 7.487 1.00 0.00 C ATOM 875 CD PRO A 61 -2.563 0.249 6.572 1.00 0.00 C ATOM 0 HA PRO A 61 -4.923 1.437 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.690 2.745 7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.275 1.095 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.509 2.093 7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.432 0.822 8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.475 0.262 6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.886 -0.764 6.813 1.00 0.00 H new ATOM 883 N GLY A 62 -4.219 3.547 3.759 1.00 0.00 N ATOM 884 CA GLY A 62 -3.840 4.838 3.217 1.00 0.00 C ATOM 885 C GLY A 62 -3.863 5.936 4.263 1.00 0.00 C ATOM 886 O GLY A 62 -3.334 7.025 4.041 1.00 0.00 O ATOM 0 H GLY A 62 -4.980 3.082 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.840 4.769 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.517 5.100 2.404 1.00 0.00 H new ATOM 890 N SER A 63 -4.479 5.649 5.405 1.00 0.00 N ATOM 891 CA SER A 63 -4.574 6.622 6.487 1.00 0.00 C ATOM 892 C SER A 63 -3.189 6.987 7.013 1.00 0.00 C ATOM 893 O SER A 63 -2.900 8.155 7.274 1.00 0.00 O ATOM 894 CB SER A 63 -5.435 6.070 7.624 1.00 0.00 C ATOM 895 OG SER A 63 -5.315 6.868 8.789 1.00 0.00 O ATOM 0 H SER A 63 -4.920 4.751 5.605 1.00 0.00 H new ATOM 0 HA SER A 63 -5.042 7.523 6.091 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.478 6.034 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.134 5.047 7.848 1.00 0.00 H new ATOM 0 HG SER A 63 -5.876 6.495 9.500 1.00 0.00 H new ATOM 901 N ILE A 64 -2.337 5.978 7.166 1.00 0.00 N ATOM 902 CA ILE A 64 -0.982 6.191 7.659 1.00 0.00 C ATOM 903 C ILE A 64 -0.029 6.534 6.519 1.00 0.00 C ATOM 904 O ILE A 64 1.188 6.571 6.703 1.00 0.00 O ATOM 905 CB ILE A 64 -0.452 4.951 8.402 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.222 3.801 7.419 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.423 4.533 9.496 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.512 2.625 8.025 1.00 0.00 C ATOM 0 H ILE A 64 -2.561 5.006 6.956 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.028 7.029 8.355 1.00 0.00 H new ATOM 0 HB ILE A 64 0.501 5.204 8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.185 3.461 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.345 4.172 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.034 3.655 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.542 5.349 10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.390 4.295 9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.640 1.848 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.490 2.950 8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.064 2.228 8.861 1.00 0.00 H new ATOM 920 N LEU A 65 -0.591 6.786 5.342 1.00 0.00 N ATOM 921 CA LEU A 65 0.209 7.128 4.171 1.00 0.00 C ATOM 922 C LEU A 65 0.060 8.606 3.823 1.00 0.00 C ATOM 923 O LEU A 65 -1.024 9.175 3.940 1.00 0.00 O ATOM 924 CB LEU A 65 -0.207 6.267 2.976 1.00 0.00 C ATOM 925 CG LEU A 65 0.164 4.786 3.056 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.121 4.092 1.732 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.626 4.621 3.442 1.00 0.00 C ATOM 0 H LEU A 65 -1.597 6.760 5.173 1.00 0.00 H new ATOM 0 HA LEU A 65 1.255 6.932 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.288 6.345 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.244 6.686 2.077 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.449 4.320 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.149 3.039 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.182 4.178 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.465 4.561 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.871 3.560 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.256 5.103 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.800 5.081 4.415 1.00 0.00 H new ATOM 939 N ALA A 66 1.158 9.220 3.393 1.00 0.00 N ATOM 940 CA ALA A 66 1.149 10.630 3.023 1.00 0.00 C ATOM 941 C ALA A 66 1.905 10.861 1.719 1.00 0.00 C ATOM 942 O ALA A 66 2.765 10.073 1.324 1.00 0.00 O ATOM 943 CB ALA A 66 1.750 11.471 4.140 1.00 0.00 C ATOM 0 H ALA A 66 2.064 8.763 3.292 1.00 0.00 H new ATOM 0 HA ALA A 66 0.113 10.934 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.737 12.522 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.166 11.338 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.778 11.156 4.319 1.00 0.00 H new ATOM 949 N PRO A 67 1.578 11.965 1.032 1.00 0.00 N ATOM 950 CA PRO A 67 2.214 12.325 -0.238 1.00 0.00 C ATOM 951 C PRO A 67 3.668 12.748 -0.059 1.00 0.00 C ATOM 952 O PRO A 67 3.953 13.896 0.283 1.00 0.00 O ATOM 953 CB PRO A 67 1.372 13.502 -0.736 1.00 0.00 C ATOM 954 CG PRO A 67 0.784 14.096 0.497 1.00 0.00 C ATOM 955 CD PRO A 67 0.562 12.949 1.444 1.00 0.00 C ATOM 0 HA PRO A 67 2.246 11.484 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.984 14.228 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.595 13.170 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.455 14.837 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.153 14.606 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.695 13.253 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.447 12.545 1.357 1.00 0.00 H new ATOM 963 N PHE A 68 4.584 11.815 -0.292 1.00 0.00 N ATOM 964 CA PHE A 68 6.010 12.091 -0.155 1.00 0.00 C ATOM 965 C PHE A 68 6.432 13.234 -1.074 1.00 0.00 C ATOM 966 O PHE A 68 6.740 13.020 -2.247 1.00 0.00 O ATOM 967 CB PHE A 68 6.827 10.837 -0.473 1.00 0.00 C ATOM 968 CG PHE A 68 8.306 11.025 -0.295 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.814 11.558 0.879 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.189 10.669 -1.301 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.175 11.732 1.047 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.551 10.840 -1.139 1.00 0.00 C ATOM 973 CZ PHE A 68 11.045 11.373 0.036 1.00 0.00 C ATOM 0 H PHE A 68 4.365 10.860 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 68 6.201 12.387 0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.492 10.022 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.628 10.535 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.138 11.841 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.809 10.253 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.558 12.148 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.229 10.557 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.109 11.509 0.164 1.00 0.00 H new ATOM 983 N SER A 69 6.444 14.448 -0.533 1.00 0.00 N ATOM 984 CA SER A 69 6.825 15.625 -1.304 1.00 0.00 C ATOM 985 C SER A 69 8.245 16.064 -0.960 1.00 0.00 C ATOM 986 O SER A 69 8.448 16.983 -0.168 1.00 0.00 O ATOM 987 CB SER A 69 5.847 16.771 -1.041 1.00 0.00 C ATOM 988 OG SER A 69 5.980 17.790 -2.017 1.00 0.00 O ATOM 0 H SER A 69 6.194 14.642 0.437 1.00 0.00 H new ATOM 0 HA SER A 69 6.791 15.363 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.826 16.390 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.027 17.187 -0.050 1.00 0.00 H new ATOM 0 HG SER A 69 5.343 18.510 -1.827 1.00 0.00 H new ATOM 994 N GLY A 70 9.226 15.400 -1.564 1.00 0.00 N ATOM 995 CA GLY A 70 10.615 15.735 -1.310 1.00 0.00 C ATOM 996 C GLY A 70 11.393 15.990 -2.586 1.00 0.00 C ATOM 997 O GLY A 70 10.823 16.281 -3.638 1.00 0.00 O ATOM 0 H GLY A 70 9.083 14.636 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.662 16.621 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.086 14.922 -0.757 1.00 0.00 H new ATOM 1001 N PRO A 71 12.727 15.882 -2.502 1.00 0.00 N ATOM 1002 CA PRO A 71 13.613 16.101 -3.649 1.00 0.00 C ATOM 1003 C PRO A 71 13.492 14.996 -4.693 1.00 0.00 C ATOM 1004 O PRO A 71 14.196 15.003 -5.703 1.00 0.00 O ATOM 1005 CB PRO A 71 15.010 16.095 -3.024 1.00 0.00 C ATOM 1006 CG PRO A 71 14.867 15.284 -1.783 1.00 0.00 C ATOM 1007 CD PRO A 71 13.473 15.539 -1.280 1.00 0.00 C ATOM 0 HA PRO A 71 13.373 17.022 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.744 15.657 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.347 17.107 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.020 14.225 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.609 15.574 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.056 14.660 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.450 16.352 -0.554 1.00 0.00 H new ATOM 1015 N SER A 72 12.594 14.048 -4.444 1.00 0.00 N ATOM 1016 CA SER A 72 12.383 12.935 -5.362 1.00 0.00 C ATOM 1017 C SER A 72 12.566 13.381 -6.809 1.00 0.00 C ATOM 1018 O SER A 72 11.731 14.098 -7.360 1.00 0.00 O ATOM 1019 CB SER A 72 10.984 12.347 -5.171 1.00 0.00 C ATOM 1020 OG SER A 72 10.878 11.676 -3.927 1.00 0.00 O ATOM 0 H SER A 72 12.001 14.029 -3.614 1.00 0.00 H new ATOM 0 HA SER A 72 13.125 12.168 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.241 13.143 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.764 11.653 -5.982 1.00 0.00 H new ATOM 0 HG SER A 72 10.825 12.335 -3.203 1.00 0.00 H new ATOM 1026 N SER A 73 13.666 12.952 -7.419 1.00 0.00 N ATOM 1027 CA SER A 73 13.963 13.310 -8.801 1.00 0.00 C ATOM 1028 C SER A 73 12.839 12.863 -9.731 1.00 0.00 C ATOM 1029 O SER A 73 11.999 12.045 -9.359 1.00 0.00 O ATOM 1030 CB SER A 73 15.286 12.680 -9.241 1.00 0.00 C ATOM 1031 OG SER A 73 15.900 13.445 -10.264 1.00 0.00 O ATOM 0 H SER A 73 14.366 12.356 -6.978 1.00 0.00 H new ATOM 0 HA SER A 73 14.049 14.395 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.958 12.604 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.108 11.666 -9.598 1.00 0.00 H new ATOM 0 HG SER A 73 16.744 13.022 -10.526 1.00 0.00 H new ATOM 1037 N GLY A 74 12.832 13.407 -10.945 1.00 0.00 N ATOM 1038 CA GLY A 74 11.807 13.053 -11.910 1.00 0.00 C ATOM 1039 C GLY A 74 10.433 13.547 -11.505 1.00 0.00 C ATOM 1040 O GLY A 74 9.418 12.989 -11.920 1.00 0.00 O ATOM 0 H GLY A 74 13.517 14.086 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.068 13.471 -12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.780 11.970 -12.026 1.00 0.00 H new TER 1044 GLY A 74